RefMet Compound Details

RefMet ID	RM0155891
MW structure	38959 (View MW Metabolite Database details)
RefMet name	Lactosamine
Systematic name	(2R,3R,4S,5R)-2-amino-3,5,6-trihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O)N)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	341.132199 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C12H23NO10	View other entries in RefMet with this formula
InChI	InChI=1S/C12H23NO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7-,8+,9-, 10-,11?,12+/m1/s1
InChIKey	PNIWLNAGKUGXDO-LNCRCTFVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Disaccharides
Sub Class	Amino disaccharides
Pubchem CID	11473293
ChEBI ID	25001
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Lactosamine

Rxn ID	KEGG Reaction	Enzyme
R00418	UDP-N-acetyl-alpha-D-glucosamine <=> UDP-N-acetyl-D-galactosamine	UDP-N-acetyl-D-glucosamine 4-epimerase
R10183	UTP + N-Acetyl-alpha-D-galactosamine 1-phosphate <=> Diphosphate + UDP-N-acetyl-D-galactosamine	UTP:N-acetyl-alpha-D-galactosamine-1-phosphate uridylyltransferase

Table of KEGG human pathways containing Lactosamine

Pathway ID	Human Pathway	# of reactions
hsa01250	Biosynthesis of nucleotide sugars	2
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa01100	Metabolic pathways	1